SCHEMBL2719976

SCHEMBL2719976

O=C1[N]c2ccc(Cl)cc2N1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 2/20 0.44
PPOX P50336 1/20 0.44
AHR P35869 2/20 0.43
CMA1 P23946 1/20 0.43
TGM2 P21980 1/20 0.40
GRM2 Q14416 1/20 0.39
CHEK1 O14757 1/20 0.39
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA4 P22748 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
HTR3E A5X5Y0 1/20 0.36
HTR3B O95264 1/20 0.36
HTR3A P46098 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3817144 0.84 CES1 (0.44) CES1PPOXAHRCMA1TGM2
SCHEMBL4752422 0.84 CES1 (0.44) CES1PPOXAHRCMA1TGM2
SCHEMBL4753998 0.76 CMA1 (0.43) CES1AHRCMA1TGM2GRM2
SCHEMBL6219325 0.75 CES1 (0.41) CES1GRM2MAPTPDE7AGRIN2D
SCHEMBL7202602 0.72 PGR (0.40) CHEK1
SCHEMBL20723 0.70 MAPT (0.44) AHRTP53MAPT
SCHEMBL20505096 0.70 MAPT (0.44) AHRTP53MAPT
SCHEMBL7367981 0.67 GRIN2D (0.43) CES1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL3826696 0.67 GRM5 (0.30)
SCHEMBL4748741 0.67 CYP3A4 (0.30)

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 45 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7674789-B2 Compounds GLAXO GROUP LIMITED (GB) 2010-03-09 US claimed
US-20090318424-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-12-24 US claimed
US-20090239846-A1 Novel Compounds GLAXO GROUP LIMITED (GB) 2009-09-24 US claimed
US-20090099157-A1 TETRAHYDRO-PYRAZOLO-PYRIDINE THIOETHER MODULATORS OF CATHEPSIN S SUNESIS PHARMACEUTICALS, INC. 2009-04-16 US claimed
EP-2032142-A2 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-03-11 EP claimed
WO-2008100621-A2 TETRAHYDRO-PYRAZOLO-PYRIDINE THIOETHER MODULATORS OF CATHEPSIN S SUNESIS PHARMACEUTICALS, INC. (US) 2008-08-21 WO claimed
WO-2007147109-A2 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2007-12-21 WO claimed
EP-1866311-A2 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2007-12-19 EP claimed
US-20060235030-A1 Novel compounds GLAXO GROUP LIMITED (GB) 2006-10-19 US claimed
WO-2006104889-A2 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2006-10-05 WO claimed
EP-2447266-B1 Pyrimidopyridine compound used as a CSBP/RK/p38 modulator GLAXO GROUP LTD (GB) 2013-06-12 EP disclosed
US-8354416-B2 3-[2-{[3-(diethylamino)propyl]amino}-8-(2,6-difluorophenyl)-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-4-yl]-5-fluoro-4-methyl-N-(1-methylethyl)benzamide; treating CSBP/p38 kinase mediated diseases; cytokine suppressive anti-inflammatory drugs; mitogen-activated protein kinase inhibitors GLAXO GROUP LIMITED (GB) 2013-01-15 US disclosed
EP-1868611-B1 8-PHENYL-7,8-DIHYDROPYRIDO[2,3-d]PYRIMIDIN-7-ONES GLAXO GROUP LTD (GB) 2012-11-14 EP disclosed
US-8207176-B2 Compounds GLAXO GROUP LIMITED (GB) 2012-06-26 US disclosed
EP-2447266-A1 Pyrimidopyridine compound used as a CSBP/RK/p38 modulator GLAXO GROUP LIMITED (GB) 2012-05-02 EP disclosed
WO-2007147104-A2 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2007-12-21 WO disclosed
US-20060258687-A1 Process for preparing pyrido[2,3-d]pyrimidin-7-one and 3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one derivatives GLAXO GROUP LIMITED (GB) 2006-11-16 US disclosed
US-20060235029-A1 Novel compounds GLAXO GROUP LIMITED (GB) 2006-10-19 US disclosed
US-20060235030-A1 Novel compounds GLAXO GROUP LIMITED (GB) 2006-10-19 US disclosed
WO-2006104915-A2 8-PHENYL-7,8-DIHYDROPYRIDO[2,3-d]PYRIMIDIN-7-ONES AND THEIR USE AS PHARMACEUTICALS GLAXO GROUP LIMITED (GB) 2006-10-05 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060258687-A1 Process for preparing pyrido[2,3-d]pyrimidin-7-one and 3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one derivatives CBR3, CBR1, CYP2S1 CES1 3098/4885PPOX 48/4885AHR 647/4885
US-20090239846-A1 Novel Compounds MAPKAPK2, MAPKAPK3, CDC42BPB CES1 2189/4885PPOX 4628/4885AHR 4209/4885
US-20060235030-A1 Novel compounds MAPKAPK2, MAPKAPK3, CDC42BPB CES1 2189/4885PPOX 4628/4885AHR 4209/4885
US-20090099157-A1 TETRAHYDRO-PYRAZOLO-PYRIDINE THIOETHER MODULATORS OF CATHEPSIN S CTSS, CTSE, CTSK CES1 388/4885PPOX 124/4885AHR 1283/4885
US-20060235029-A1 Novel compounds MAPKAPK2, CDC42BPB, MAPK8 CES1 2834/4885PPOX 4397/4885AHR 4125/4885
US-20090318424-A1 NOVEL COMPOUNDS MAPKAPK2, MAPKAPK3, CDC42BPB CES1 2189/4885PPOX 4628/4885AHR 4209/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.